%chk=000050367.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050367

0 1
 S  -0.9449000       1.619200      0.2017000    
 O    1.209500      -2.155900      4.4599999E-02
 N  -0.8322000      -1.056400     -0.1733000    
 N    1.248900      0.1607000     -0.2666000    
 N   -2.967200     -2.8200001E-02  5.0200000E-02
 C   -1.490600      -2.358600     -0.2875000    
 C   -3.645200       1.244600      0.2452000    
 C   -1.678300      5.5399999E-02  6.6000000E-03
 C   0.6018000      -1.091600     -0.1181000    
 C   0.5168000       1.305500     -0.7954000    
 C   -2.405100      -2.384500      -1.505300    
 C   -2.259700      -2.682700      0.9873000    
 C   -3.281800       2.167800     -0.9171000    
 C   -5.149500      0.9755000      0.2684000    
 C   -3.184200       1.838100       1.576100    
 C    2.672600      0.2822000     -7.2700001E-02
 C    3.322200     -0.5670000      0.8173000    
 C    3.385200       1.246900     -0.7775000    
 C    4.699500     -0.4500000       1.004900    
 C    4.762400       1.363800     -0.5900000    
 C    5.419600      0.5153000      0.3012000    
 H  -0.7433000      -3.145400     -0.4360000    
 H    1.086900       2.234100     -0.7530000    
 H   0.2328000       1.096800      -1.832300    
 H   -2.683700      -3.421100      -1.730000    
 H   -3.346300      -1.843700      -1.384200    
 H   -1.895500      -1.985900      -2.389800    
 H   -1.634600      -2.524500       1.873300    
 H   -2.552300      -3.739400      0.9793000    
 H   -3.183500      -2.115700       1.122000    
 H   -2.846200       3.136700     -0.6429000    
 H   -4.215100       2.485600      -1.408300    
 H   -2.737600       1.699200      -1.748000    
 H   -5.413900      0.2829000       1.076200    
 H   -5.482000      0.5137000     -0.6687000    
 H   -5.721400       1.898800      0.4128000    
 H   -2.586600       1.174300       2.215300    
 H   -4.075100       2.008400       2.201200    
 H   -2.763300       2.850500       1.531700    
 H    2.800000      -1.288200       1.436800    
 H    2.933100       1.897200      -1.518900    
 H    5.209500      -1.100500       1.709500    
 H    5.325700       2.107900      -1.145600    
 H    6.491800      0.6070000      0.4478000    


%chk=000050367-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050367

0 1
S -0.590678 1.949475 -0.287722
O 1.119298 -2.114773 0.113936
N -0.774055 -0.854166 -0.503638
N 1.437548 0.107879 -0.561553
N -2.773817 0.196045 0.192360
C -1.493291 -2.178796 -0.722875
C -3.768060 1.270152 0.488037
C -1.543425 0.304088 -0.159990
C 0.637488 -1.010494 -0.264372
C 0.829372 1.204317 -1.298927
C -2.559300 -2.069217 -1.830462
C -2.032159 -2.788835 0.588492
C -4.043794 2.127011 -0.779620
C -5.067432 0.530774 0.897777
C -3.301465 2.162892 1.672476
C 2.802658 0.198755 -0.103417
C 3.161208 -0.241939 1.195227
C 3.790173 0.759489 -0.951688
C 4.494007 -0.113055 1.635952
C 5.119612 0.897794 -0.496006
C 5.479036 0.462868 0.799211
H -0.686316 -2.840109 -1.085887
H 1.550806 2.016025 -1.454941
H 0.401023 0.864420 -2.254910
H -2.893652 -3.088587 -2.097488
H -3.433046 -1.489981 -1.494715
H -2.142759 -1.597819 -2.739332
H -1.213746 -2.902895 1.319077
H -2.446687 -3.792589 0.378494
H -2.826041 -2.156902 1.015172
H -3.143098 2.672170 -1.109918
H -4.837132 2.865060 -0.562093
H -4.388043 1.483107 -1.609152
H -4.889757 -0.091690 1.792684
H -5.404734 -0.133161 0.082250
H -5.872994 1.253499 1.122346
H -3.042574 1.537915 2.545935
H -4.120124 2.845652 1.964489
H -2.422686 2.778724 1.413440
H 2.405899 -0.692259 1.844068
H 3.533450 1.060106 -1.973867
H 4.762160 -0.457717 2.640649
H 5.874712 1.331249 -1.160972
H 6.511614 0.564316 1.149674


